Ethyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)-6,7-dihydroindazole-3-carboxylate | 913558-09-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)-6,7-dihydroindazole-3-carboxylate
• CAS: 913558-09-5
• 化学式: C₁₈H₁₇F₃N₂O₇S₂
• 分子量: 494.469
• InChiKey: DVBVOWGIQMACDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Ethyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)-6,7-dihydroindazole-3-carboxylate 、 2,6-二氟苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 ethyl 5-(2,6-difluorophenyl)-1-tosyl-6,7-dihydro-1H-indazole-3-carboxylate
  参考文献：
  名称：

  Pyrazole acids as niacin receptor agonists for the treatment of dyslipidemia

  摘要：

  Niacin is an effective drug for raising HDL cholesterol and reducing coronary risks, but patients show low compliance with treatment due to severe facial flushing upon taking the drug. A series of bicyclic pyrazole carboxylic acids were synthesized and tested for their ability to activate the niacin receptor. One analog, 23, showed improved potency and lacked flushing at doses that effectively altered the lipid profile of rats. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.054
• 作为产物：
  描述：

  2-[N,正双(三氟甲烷烷磺酰)氨基]-5-氯吡啶 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 4.5h， 生成 Ethyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)-6,7-dihydroindazole-3-carboxylate
  参考文献：
  名称：

  WO2006/113150

  摘要：

  公开号：

文献信息

• Niacin receptor agonists, compositions containing such compounds and methods of treatment
  申请人：Imbriglio Jason E.

  公开号：US20090054423A1

  公开（公告）日：2009-02-26

  The present invention encompasses compounds of Formula I: as well as pharmaceutically acceptable salts and hydrates thereof, that are useful for treating dyslipidemias. Pharmaceutical compositions and methods of use are also included.

  本发明涵盖了I式化合物，以及其药学上可接受的盐和水合物，用于治疗血脂异常。此外，还包括药物组合物和使用方法。
• WO2006/113150
  申请人：——

  公开号：——

  公开（公告）日：——
• Pyrazole acids as niacin receptor agonists for the treatment of dyslipidemia
  作者：Darby Schmidt、Abigail Smenton、Subharekha Raghavan、Ester Carballo-Jane、Silvi Lubell、Tanya Ciecko、Tom G. Holt、Michael Wolff、Andrew Taggart、Larissa Wilsie、Mihajlo Krsmanovic、Ning Ren、Daniel Blom、Kang Cheng、Peggy E. McCann、M. Gerard Waters、James Tata、Steven Colletti

  DOI：10.1016/j.bmcl.2009.06.054

  日期：2009.8

  Niacin is an effective drug for raising HDL cholesterol and reducing coronary risks, but patients show low compliance with treatment due to severe facial flushing upon taking the drug. A series of bicyclic pyrazole carboxylic acids were synthesized and tested for their ability to activate the niacin receptor. One analog, 23, showed improved potency and lacked flushing at doses that effectively altered the lipid profile of rats. (C) 2009 Elsevier Ltd. All rights reserved.